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ID 58052
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Gotoh, Kazuma Department of Chemistry, Faculty of Science, Okayama University Kaken ID researchmap
Ishida, Hiroyuki Department of Chemistry, Faculty of Science, Okayama University Kaken ID publons researchmap
Abstract
The title compound, C9H7.5NO center dot C7H3.5ClNO4, was analysed as a disordered structure over two states, viz. co-crystal and salt, accompanied by a keto-enol tautomerization in the base molecule. The co-crystal is 4-chloro-2-nitrobenzoic acid-quinolin-4(1H)-one (1/1), C7H4ClNO4 center dot C9H7NO, and the salt is 4-hydroxy-quinolinium 4-chloro-2-nitrobenzoate, C9H8NO+center dot C7H3ClNO4. In the compound, the acid and base molecules are held together by a short hydrogen bond [O center dot center dot center dot O = 2.4393 (15) angstrom], in which the H atom is disordered over two positions with equal occupancies. In the crystal, the hydrogen-bonded acid-base units are linked by N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, forming a tape structure along the a-axis direction. The tapes are stacked into a layer parallel to the ab plane via pi-pi interactions [centroid-centroid distances = 3.5504 (8)-3.9010 (11) angstrom]. The layers are further linked by another C-H center dot center dot center dot O hydrogen bond, forming a three-dimensional network. Hirshfeld surfaces for the title compound mapped over shape-index and d orm were generated to visualize the intermolecular interactions.
Keywords
crystal structure
4-chloro-2-nitro-benzoic acid
4(1H)-quinolinone
4-hydroxy-quinoline
hydrogen bond
keto-enol tautomerization
Hirshfeld surface
Published Date
2019-12
Publication Title
Acta Crystallographica Section E: Crystallographic Communications
Volume
volume75
Publisher
International Union of Crystallography
Start Page
1853
ISSN
2056-9890
Content Type
Journal Article
language
英語
OAI-PMH Set
岡山大学
Copyright Holders
2019 authors
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publisher
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DOI
Web of Science KeyUT
Related Url
isVersionOf https://doi.org/10.1107/S205698901901497X
License
https://creativecommons.org/licenses/by/4.0/